General Information of the Compound
| Compound ID |
CP0545079
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| Compound Name |
N-[(2-chloropyridin-3-yl)carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C17H20ClN3OS
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| Molecular Weight |
349.887
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| Canonical SMILES |
Clc1ncccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H20ClN3OS/c18-14-13(2-1-3-19-14)20-16(23)21-15(22)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H2,20,21,22,23)
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| InChIKey |
KACOTWUGEBJOFP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7